N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide

C19H18ClN5O2 — CID 162690055

IUPACN-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C19H18ClN5O2/c20-14-4-5-17(22-11-14)23-16-7-9-25(12-16)19(27)13-2-1-3-15(10-13)24-18(26)6-8-21/h1-5,10-11,16H,6-7,9,12H2,(H,22,23)(H,24,26)/t16-/m1/s1
InChIKeyQGPLPGWQOZMVFG-MRXNPFEDSA-N
MW383.84 g/mol
LogP2.91
Rot. Bonds5

About N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide

N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide (PubChem CID 162690055) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide
PubChem CID162690055
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C19H18ClN5O2/c20-14-4-5-17(22-11-14)23-16-7-9-25(12-16)19(27)13-2-1-3-15(10-13)24-18(26)6-8-21/h1-5,10-11,16H,6-7,9,12H2,(H,22,23)(H,24,26)/t16-/m1/s1
InChIKeyQGPLPGWQOZMVFG-MRXNPFEDSA-N
XLogP2.91
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
N-[4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-methylidenebutanamide
CID 162690060
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-(1-benzoylpiperidin-4-yl)-N'-(5-chloro-2-pyridinyl)oxamide
CID 142691795
(E)-3-[6-[[(3S)-1-(4-chlorobenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 87636752
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
CID 166231263
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108558978
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365
N-[4-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-ynamide
CID 153314165

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide (CID 162690055) is N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1.
What is the InChIKey of N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide?
The InChIKey is QGPLPGWQOZMVFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-14-4-5-17(22-11-14)23-16-7-9-25(12-16)19(27)13-2-1-3-15(10-13)24-18(26)6-8-21/h1-5,10-11,16H,6-7,9,12H2,(H,22,23)(H,24,26)/t16-/m1/s1.
What are the key properties of N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide?
N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide has a molecular weight of 383.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide is sourced from PubChem (CID 162690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).