4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H21N7O — CID 59292038

IUPAC4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1Nc1c(C(N)=O)cnc2[nH]ccc12
InChIInChI=1S/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/m1/s1
InChIKeyCYKGBNVCNYNGDQ-WBMJQRKESA-N
MW375.44 g/mol
LogP2.26
Rot. Bonds4

About 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59292038) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59292038
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1Nc1c(C(N)=O)cnc2[nH]ccc12
InChIInChI=1S/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/m1/s1
InChIKeyCYKGBNVCNYNGDQ-WBMJQRKESA-N
XLogP2.26
TPSA123.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291951
4-[[1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
CID 123830559
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
1-[4-[[(4R)-1,3-dimethylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 164818381
7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
CID 123295215
6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
CID 58440219
4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277160
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277273
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59292038) is 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1Nc1c(C(N)=O)cnc2[nH]ccc12.
What is the InChIKey of 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is CYKGBNVCNYNGDQ-WBMJQRKESA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/m1/s1.
What are the key properties of 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59292038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).