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

C27H35N5O3 — CID 166705911

IUPAC2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
SMILESCCC[C@H](c1cc(C(=O)N[C@H]2CCOc3ccccc32)ccn1)N1C(=O)CC(CC)(CC)N=C1N
InChIInChI=1S/C27H35N5O3/c1-4-9-22(32-24(33)17-27(5-2,6-3)31-26(32)28)21-16-18(12-14-29-21)25(34)30-20-13-15-35-23-11-8-7-10-19(20)23/h7-8,10-12,14,16,20,22H,4-6,9,13,15,17H2,1-3H3,(H2,28,31)(H,30,34)/t20-,22+/m0/s1
InChIKeyRMSGKOPKSSPWLT-RBBKRZOGSA-N
MW477.61 g/mol
LogP4.28
Rot. Bonds8

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

2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide (PubChem CID 166705911) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
PubChem CID166705911
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide
SMILESCCC[C@H](c1cc(C(=O)N[C@H]2CCOc3ccccc32)ccn1)N1C(=O)CC(CC)(CC)N=C1N
InChIInChI=1S/C27H35N5O3/c1-4-9-22(32-24(33)17-27(5-2,6-3)31-26(32)28)21-16-18(12-14-29-21)25(34)30-20-13-15-35-23-11-8-7-10-19(20)23/h7-8,10-12,14,16,20,22H,4-6,9,13,15,17H2,1-3H3,(H2,28,31)(H,30,34)/t20-,22+/m0/s1
InChIKeyRMSGKOPKSSPWLT-RBBKRZOGSA-N
XLogP4.28
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 170264362
3-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 166705628
5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)hex-5-ynyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cyclohexa-1,5-diene-1-carboxamide
CID 166705791
3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)propyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 166705756
trans-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
CID 171442001
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 166705771
3-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-morpholin-4-ylpropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 166705859
3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)ethyl]-N-[(3R,4S)-3-methyl-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 166705585
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 164864671
3-[(1R)-1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-(3-hydroxy-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 170267641
5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
CID 166705582
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide (CID 166705911) is 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide is CCC[C@H](c1cc(C(=O)N[C@H]2CCOc3ccccc32)ccn1)N1C(=O)CC(CC)(CC)N=C1N.
What is the InChIKey of 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
The InChIKey is RMSGKOPKSSPWLT-RBBKRZOGSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-4-9-22(32-24(33)17-27(5-2,6-3)31-26(32)28)21-16-18(12-14-29-21)25(34)30-20-13-15-35-23-11-8-7-10-19(20)23/h7-8,10-12,14,16,20,22H,4-6,9,13,15,17H2,1-3H3,(H2,28,31)(H,30,34)/t20-,22+/m0/s1.
What are the key properties of 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide?
2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 166705911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).