2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide

C24H29N5O3 — CID 166705863

IUPAC2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
SMILESCCC1(CC)CC(=O)N(Cc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccn2)C(N)=N1
InChIInChI=1S/C24H29N5O3/c1-3-24(4-2)14-21(30)29(23(25)28-24)15-17-13-16(9-11-26-17)22(31)27-19-10-12-32-20-8-6-5-7-18(19)20/h5-9,11,13,19H,3-4,10,12,14-15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1
InChIKeyMBXFHMXBNXRMJU-IBGZPJMESA-N
MW435.53 g/mol
LogP2.94
Rot. Bonds6

About 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide

2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide (PubChem CID 166705863) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
PubChem CID166705863
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
SMILESCCC1(CC)CC(=O)N(Cc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccn2)C(N)=N1
InChIInChI=1S/C24H29N5O3/c1-3-24(4-2)14-21(30)29(23(25)28-24)15-17-13-16(9-11-26-17)22(31)27-19-10-12-32-20-8-6-5-7-18(19)20/h5-9,11,13,19H,3-4,10,12,14-15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1
InChIKeyMBXFHMXBNXRMJU-IBGZPJMESA-N
XLogP2.94
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide (CID 166705863) is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide is CCC1(CC)CC(=O)N(Cc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccn2)C(N)=N1.
What is the InChIKey of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The InChIKey is MBXFHMXBNXRMJU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-24(4-2)14-21(30)29(23(25)28-24)15-17-13-16(9-11-26-17)22(31)27-19-10-12-32-20-8-6-5-7-18(19)20/h5-9,11,13,19H,3-4,10,12,14-15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1.
What are the key properties of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 166705863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).