(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide

C24H25N9O — CID 90369680

IUPAC(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)[C@@H]4CCCN4)nc3)n2)cnc1N1CCCC1
InChIInChI=1S/C24H25N9O/c25-13-16-12-17(14-29-22(16)33-10-1-2-11-33)19-7-9-27-24(31-19)30-18-5-6-21(28-15-18)32-23(34)20-4-3-8-26-20/h5-7,9,12,14-15,20,26H,1-4,8,10-11H2,(H,27,30,31)(H,28,32,34)/t20-/m0/s1
InChIKeyGQUCIAVHGPLKGP-FQEVSTJZSA-N
MW455.53 g/mol
LogP2.84
Rot. Bonds6

About (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide

(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 90369680) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID90369680
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)[C@@H]4CCCN4)nc3)n2)cnc1N1CCCC1
InChIInChI=1S/C24H25N9O/c25-13-16-12-17(14-29-22(16)33-10-1-2-11-33)19-7-9-27-24(31-19)30-18-5-6-21(28-15-18)32-23(34)20-4-3-8-26-20/h5-7,9,12,14-15,20,26H,1-4,8,10-11H2,(H,27,30,31)(H,28,32,34)/t20-/m0/s1
InChIKeyGQUCIAVHGPLKGP-FQEVSTJZSA-N
XLogP2.84
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[4-[2-[(6-acetamido-3-pyridinyl)amino]pyrimidin-4-yl]-2-cyanophenyl]pyrrolidine-2-carboxamide
CID 66685477
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 144686765
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-(2-oxo-3-pyrrolidin-1-ylpropyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158310104
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78324428
(2R)-N-[4-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 70315153
5-[2-[3-(1-piperazin-1-ylethenyl)anilino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 123538759
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-(3-hydroxy-2-oxopropyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158792508
N-[4-[2-(3-chloro-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 69024259
2-(methylamino)-5-[2-[[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78322559
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-[4-[2-[4-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 69023246
4-[[4-[5-cyano-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzamide
CID 118620096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 90369680) is (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide is N#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)[C@@H]4CCCN4)nc3)n2)cnc1N1CCCC1.
What is the InChIKey of (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is GQUCIAVHGPLKGP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N9O/c25-13-16-12-17(14-29-22(16)33-10-1-2-11-33)19-7-9-27-24(31-19)30-18-5-6-21(28-15-18)32-23(34)20-4-3-8-26-20/h5-7,9,12,14-15,20,26H,1-4,8,10-11H2,(H,27,30,31)(H,28,32,34)/t20-/m0/s1.
What are the key properties of (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[[4-(5-cyano-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90369680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).