6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C22H26N10O — CID 71544487

IUPAC6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESC[C@H](N)CNc1cc(Nc2cc(-c3cnn(C)c3)cc(-c3cnn(C)c3)n2)c(C(N)=O)cn1
InChIInChI=1S/C22H26N10O/c1-13(23)7-25-20-6-19(17(10-26-20)22(24)33)30-21-5-14(15-8-27-31(2)11-15)4-18(29-21)16-9-28-32(3)12-16/h4-6,8-13H,7,23H2,1-3H3,(H2,24,33)(H2,25,26,29,30)/t13-/m0/s1
InChIKeyWZTVJXFFCGMURQ-ZDUSSCGKSA-N
MW446.52 g/mol
LogP1.88
Rot. Bonds8

About 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 71544487) has the molecular formula C22H26N10O and a molecular weight of 446.52 g/mol. Its IUPAC name is 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID71544487
Molecular FormulaC22H26N10O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESC[C@H](N)CNc1cc(Nc2cc(-c3cnn(C)c3)cc(-c3cnn(C)c3)n2)c(C(N)=O)cn1
InChIInChI=1S/C22H26N10O/c1-13(23)7-25-20-6-19(17(10-26-20)22(24)33)30-21-5-14(15-8-27-31(2)11-15)4-18(29-21)16-9-28-32(3)12-16/h4-6,8-13H,7,23H2,1-3H3,(H2,24,33)(H2,25,26,29,30)/t13-/m0/s1
InChIKeyWZTVJXFFCGMURQ-ZDUSSCGKSA-N
XLogP1.88
TPSA154.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(2-aminopropylamino)-4-[[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 78105681
6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 89488191
5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
CID 118368222
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
1-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine
CID 112710005
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547341
2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 59525995
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
CID 67515255
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 71544487) is 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is C[C@H](N)CNc1cc(Nc2cc(-c3cnn(C)c3)cc(-c3cnn(C)c3)n2)c(C(N)=O)cn1.
What is the InChIKey of 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is WZTVJXFFCGMURQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H26N10O/c1-13(23)7-25-20-6-19(17(10-26-20)22(24)33)30-21-5-14(15-8-27-31(2)11-15)4-18(29-21)16-9-28-32(3)12-16/h4-6,8-13H,7,23H2,1-3H3,(H2,24,33)(H2,25,26,29,30)/t13-/m0/s1.
What are the key properties of 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.88, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminopropyl]amino]-4-[[4,6-bis(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 71544487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).