(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid

C16H22N4O4 — CID 134363639

IUPAC(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
SMILESCC(C)C(=O)N(C)c1ccnc(C(=O)N[C@@H]2CCN(C(=O)O)C2)c1
InChIInChI=1S/C16H22N4O4/c1-10(2)15(22)19(3)12-4-6-17-13(8-12)14(21)18-11-5-7-20(9-11)16(23)24/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,23,24)/t11-/m1/s1
InChIKeySFNQBKCARPYMCQ-LLVKDONJSA-N
MW334.38 g/mol
LogP1.18
Rot. Bonds4

About (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid

(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid (PubChem CID 134363639) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
PubChem CID134363639
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
SMILESCC(C)C(=O)N(C)c1ccnc(C(=O)N[C@@H]2CCN(C(=O)O)C2)c1
InChIInChI=1S/C16H22N4O4/c1-10(2)15(22)19(3)12-4-6-17-13(8-12)14(21)18-11-5-7-20(9-11)16(23)24/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,23,24)/t11-/m1/s1
InChIKeySFNQBKCARPYMCQ-LLVKDONJSA-N
XLogP1.18
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid with MolForge

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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-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
CID 175494441
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215838
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
4-hydrazinyl-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62248952
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590614
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid (CID 134363639) is (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid is CC(C)C(=O)N(C)c1ccnc(C(=O)N[C@@H]2CCN(C(=O)O)C2)c1.
What is the InChIKey of (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid?
The InChIKey is SFNQBKCARPYMCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10(2)15(22)19(3)12-4-6-17-13(8-12)14(21)18-11-5-7-20(9-11)16(23)24/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,23,24)/t11-/m1/s1.
What are the key properties of (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134363639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).