4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide

C25H24ClN7O4 — CID 134823250

IUPAC4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
SMILESCCC(=O)NC1CN=C(Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C25H24ClN7O4/c1-2-22(34)32-21-13-30-25(33(24(21)36)14-17-4-3-15(26)12-29-17)31-16-5-7-18(8-6-16)37-19-9-10-28-20(11-19)23(27)35/h3-12,21H,2,13-14H2,1H3,(H2,27,35)(H,30,31)(H,32,34)
InChIKeyQBIBQSINHQZWAK-UHFFFAOYSA-N
MW521.97 g/mol
LogP2.73
Rot. Bonds8

About 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide

4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide (PubChem CID 134823250) has the molecular formula C25H24ClN7O4 and a molecular weight of 521.97 g/mol. Its IUPAC name is 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
PubChem CID134823250
Molecular FormulaC25H24ClN7O4
Molecular Weight521.97 g/mol
Exact Mass521.16
IUPAC Name4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
SMILESCCC(=O)NC1CN=C(Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C25H24ClN7O4/c1-2-22(34)32-21-13-30-25(33(24(21)36)14-17-4-3-15(26)12-29-17)31-16-5-7-18(8-6-16)37-19-9-10-28-20(11-19)23(27)35/h3-12,21H,2,13-14H2,1H3,(H2,27,35)(H,30,31)(H,32,34)
InChIKeyQBIBQSINHQZWAK-UHFFFAOYSA-N
XLogP2.73
TPSA151.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.97
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[3-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]phenyl]acetic acid
CID 134823307
methyl 6-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxylate
CID 134823260
4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 134823323
N-[1-[(5-chloro-2-pyridinyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxo-4,5-dihydropyrimidin-5-yl]oxane-4-carboxamide
CID 134823248
4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(propanoylamino)pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 118685869
N-[1-[(4-chlorophenyl)methyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]-6-oxo-4,5-dihydropyrimidin-5-yl]oxolane-3-carboxamide
CID 134823189
6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 134823271
6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridazine-3-carboxamide
CID 134823270
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 130278392
ethyl 1-[(4-chlorophenyl)methyl]-2-[4-[(6-cyano-2-pyridinyl)oxy]anilino]-6-oxo-4,5-dihydropyrimidine-5-carboxylate
CID 134823161
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143453790

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide (CID 134823250) is 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide is CCC(=O)NC1CN=C(Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)N(Cc2ccc(Cl)cn2)C1=O.
What is the InChIKey of 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is QBIBQSINHQZWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O4/c1-2-22(34)32-21-13-30-25(33(24(21)36)14-17-4-3-15(26)12-29-17)31-16-5-7-18(8-6-16)37-19-9-10-28-20(11-19)23(27)35/h3-12,21H,2,13-14H2,1H3,(H2,27,35)(H,30,31)(H,32,34).
What are the key properties of 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide?
4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 521.97 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-6-oxo-5-(propanoylamino)-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 134823250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).