2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide

C20H25N5O2 — CID 129398654

IUPAC2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(N2CCC[C@@H](NC(=O)c3cc(C4CC4)[nH]c(=O)c3)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-2-15-10-18(22-12-21-15)25-7-3-4-16(11-25)23-20(27)14-8-17(13-5-6-13)24-19(26)9-14/h8-10,12-13,16H,2-7,11H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyWQQKVMNGTROKRE-MRXNPFEDSA-N
MW367.45 g/mol
LogP2.00
Rot. Bonds5

About 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 129398654) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID129398654
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(N2CCC[C@@H](NC(=O)c3cc(C4CC4)[nH]c(=O)c3)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-2-15-10-18(22-12-21-15)25-7-3-4-16(11-25)23-20(27)14-8-17(13-5-6-13)24-19(26)9-14/h8-10,12-13,16H,2-7,11H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyWQQKVMNGTROKRE-MRXNPFEDSA-N
XLogP2.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 124626387
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
CID 124721716
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 127311887
N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
CID 166257039

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide (CID 129398654) is 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(N2CCC[C@@H](NC(=O)c3cc(C4CC4)[nH]c(=O)c3)C2)ncn1.
What is the InChIKey of 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WQQKVMNGTROKRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-15-10-18(22-12-21-15)25-7-3-4-16(11-25)23-20(27)14-8-17(13-5-6-13)24-19(26)9-14/h8-10,12-13,16H,2-7,11H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 129398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).