N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide

C16H23N5O — CID 175494441

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
SMILESCC(C)CN(C)c1ccnc(C(=O)N[C@@H]2CCN(C#N)C2)c1
InChIInChI=1S/C16H23N5O/c1-12(2)9-20(3)14-4-6-18-15(8-14)16(22)19-13-5-7-21(10-13)11-17/h4,6,8,12-13H,5,7,9-10H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyLYFLTABDCKSEFD-CYBMUJFWSA-N
MW301.39 g/mol
LogP1.46
Rot. Bonds5

About N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide (PubChem CID 175494441) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
PubChem CID175494441
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
SMILESCC(C)CN(C)c1ccnc(C(=O)N[C@@H]2CCN(C#N)C2)c1
InChIInChI=1S/C16H23N5O/c1-12(2)9-20(3)14-4-6-18-15(8-14)16(22)19-13-5-7-21(10-13)11-17/h4,6,8,12-13H,5,7,9-10H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyLYFLTABDCKSEFD-CYBMUJFWSA-N
XLogP1.46
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-4-[methyl(2-methylpropanoyl)amino]pyridine-2-carboxamide
CID 134363605
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 134363639
N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909159
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(2-ethyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
CID 170247442
N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
CID 122590609
methyl 4-[2-cyanopropyl(methyl)amino]pyridine-2-carboxylate
CID 66285396
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215838

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide (CID 175494441) is N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide is CC(C)CN(C)c1ccnc(C(=O)N[C@@H]2CCN(C#N)C2)c1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide?
The InChIKey is LYFLTABDCKSEFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)9-20(3)14-4-6-18-15(8-14)16(22)19-13-5-7-21(10-13)11-17/h4,6,8,12-13H,5,7,9-10H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 175494441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).