N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide

C14H22N4O2 — CID 96502320

IUPACN,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-9(2)10(3)16-14(20)17-11-6-7-15-12(8-11)13(19)18(4)5/h6-10H,1-5H3,(H2,15,16,17,20)/t10-/m0/s1
InChIKeyKCGAOYFAKBPFRP-JTQLQIEISA-N
MW278.36 g/mol
LogP1.95
Rot. Bonds4

About N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide

N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide (PubChem CID 96502320) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide
PubChem CID96502320
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-9(2)10(3)16-14(20)17-11-6-7-15-12(8-11)13(19)18(4)5/h6-10H,1-5H3,(H2,15,16,17,20)/t10-/m0/s1
InChIKeyKCGAOYFAKBPFRP-JTQLQIEISA-N
XLogP1.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 96502326
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-N,N-dimethylpyridine-2-carboxamide
CID 75507305
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565
4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 71865628

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide (CID 96502320) is N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide is CC(C)[C@H](C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide?
The InChIKey is KCGAOYFAKBPFRP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)10(3)16-14(20)17-11-6-7-15-12(8-11)13(19)18(4)5/h6-10H,1-5H3,(H2,15,16,17,20)/t10-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide?
N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 96502320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).