(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

C18H24N6O — CID 120938492

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C18H24N6O/c1-23-12-13(8-21-23)15-10-19-11-16(15)18(25)22-14-4-5-17(20-9-14)24-6-2-3-7-24/h4-5,8-9,12,15-16,19H,2-3,6-7,10-11H2,1H3,(H,22,25)/t15-,16+/m1/s1
InChIKeyYMZFRDYNQUENKY-CVEARBPZSA-N
MW340.43 g/mol
LogP1.36
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 120938492) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID120938492
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C18H24N6O/c1-23-12-13(8-21-23)15-10-19-11-16(15)18(25)22-14-4-5-17(20-9-14)24-6-2-3-7-24/h4-5,8-9,12,15-16,19H,2-3,6-7,10-11H2,1H3,(H,22,25)/t15-,16+/m1/s1
InChIKeyYMZFRDYNQUENKY-CVEARBPZSA-N
XLogP1.36
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-N-(4-ethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917018
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120943030
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(propylsulfonylamino)phenyl]pyrrolidine-3-carboxamide
CID 120928327
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 120917329
(3R,4S)-N-[4-(3-methylbutanoylamino)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120921302
(3R,4S)-N-(4-cyclohexyloxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933779
methyl 2-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenoxy]acetate;hydrochloride
CID 120922724
(3R,4S)-N-(9H-fluoren-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120918242

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (CID 120938492) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is Cn1cc([C@H]2CNC[C@@H]2C(=O)Nc2ccc(N3CCCC3)nc2)cn1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is YMZFRDYNQUENKY-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-12-13(8-21-23)15-10-19-11-16(15)18(25)22-14-4-5-17(20-9-14)24-6-2-3-7-24/h4-5,8-9,12,15-16,19H,2-3,6-7,10-11H2,1H3,(H,22,25)/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120938492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).