N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

C19H16N6O2 — CID 133408616

IUPACN-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESNc1ccc2c(NCc3ccc(NC(=O)c4ccco4)cc3)ncnc2n1
InChIInChI=1S/C19H16N6O2/c20-16-8-7-14-17(22-11-23-18(14)25-16)21-10-12-3-5-13(6-4-12)24-19(26)15-2-1-9-27-15/h1-9,11H,10H2,(H,24,26)(H3,20,21,22,23,25)
InChIKeyGCMPSTKQVPUNRJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133408616) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133408616
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESNc1ccc2c(NCc3ccc(NC(=O)c4ccco4)cc3)ncnc2n1
InChIInChI=1S/C19H16N6O2/c20-16-8-7-14-17(22-11-23-18(14)25-16)21-10-12-3-5-13(6-4-12)24-19(26)15-2-1-9-27-15/h1-9,11H,10H2,(H,24,26)(H3,20,21,22,23,25)
InChIKeyGCMPSTKQVPUNRJ-UHFFFAOYSA-N
XLogP3.06
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133433194
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
N-(2,6-diamino-3-pyridinyl)furan-2-carboxamide
CID 110178922
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (CID 133408616) is N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is Nc1ccc2c(NCc3ccc(NC(=O)c4ccco4)cc3)ncnc2n1.
What is the InChIKey of N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is GCMPSTKQVPUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-16-8-7-14-17(22-11-23-18(14)25-16)21-10-12-3-5-13(6-4-12)24-19(26)15-2-1-9-27-15/h1-9,11H,10H2,(H,24,26)(H3,20,21,22,23,25).
What are the key properties of N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133408616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).