(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

C22H21N7O — CID 86303027

IUPAC(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESC[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1
InChIKeyYBVCMIZESQAPMG-HNNXBMFYSA-N
MW399.46 g/mol
LogP3.38
Rot. Bonds6

About (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (PubChem CID 86303027) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
PubChem CID86303027
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESC[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1
InChIKeyYBVCMIZESQAPMG-HNNXBMFYSA-N
XLogP3.38
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (CID 86303027) is (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is C[C@H](Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1.
What is the InChIKey of (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The InChIKey is YBVCMIZESQAPMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1.
What are the key properties of (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide has a molecular weight of 399.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 86303027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).