4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide

C20H28N4O — CID 95721377

IUPAC4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N[C@@H](CC(C)(C)C)c2cccnc2)ccn1
InChIInChI=1S/C20H28N4O/c1-14(2)23-19(25)17-11-16(8-10-22-17)24-18(12-20(3,4)5)15-7-6-9-21-13-15/h6-11,13-14,18H,12H2,1-5H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyNTXHRUBECQZWLM-SFHVURJKSA-N
MW340.47 g/mol
LogP4.20
Rot. Bonds6

About 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide

4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 95721377) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID95721377
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(N[C@@H](CC(C)(C)C)c2cccnc2)ccn1
InChIInChI=1S/C20H28N4O/c1-14(2)23-19(25)17-11-16(8-10-22-17)24-18(12-20(3,4)5)15-7-6-9-21-13-15/h6-11,13-14,18H,12H2,1-5H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyNTXHRUBECQZWLM-SFHVURJKSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide with MolForge

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Related Compounds

4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
CID 95708356
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
CID 134714092
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide (CID 95721377) is 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(N[C@@H](CC(C)(C)C)c2cccnc2)ccn1.
What is the InChIKey of 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is NTXHRUBECQZWLM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)23-19(25)17-11-16(8-10-22-17)24-18(12-20(3,4)5)15-7-6-9-21-13-15/h6-11,13-14,18H,12H2,1-5H3,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide?
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 95721377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).