N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide

C17H22N6O2 — CID 124578647

IUPACN-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)N[C@H]2CCc3[nH]ncc3C2)nc1
InChIInChI=1S/C17H22N6O2/c1-11-2-5-15(19-9-11)22-16(24)6-7-18-17(25)21-13-3-4-14-12(8-13)10-20-23-14/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,20,23)(H2,18,21,25)(H,19,22,24)/t13-/m0/s1
InChIKeyRETUKCQNDNZPPY-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.30
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide

N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide (PubChem CID 124578647) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
PubChem CID124578647
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)N[C@H]2CCc3[nH]ncc3C2)nc1
InChIInChI=1S/C17H22N6O2/c1-11-2-5-15(19-9-11)22-16(24)6-7-18-17(25)21-13-3-4-14-12(8-13)10-20-23-14/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,20,23)(H2,18,21,25)(H,19,22,24)/t13-/m0/s1
InChIKeyRETUKCQNDNZPPY-ZDUSSCGKSA-N
XLogP1.30
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide (CID 124578647) is N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide is Cc1ccc(NC(=O)CCNC(=O)N[C@H]2CCc3[nH]ncc3C2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide?
The InChIKey is RETUKCQNDNZPPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-2-5-15(19-9-11)22-16(24)6-7-18-17(25)21-13-3-4-14-12(8-13)10-20-23-14/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,20,23)(H2,18,21,25)(H,19,22,24)/t13-/m0/s1.
What are the key properties of N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide?
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide has a molecular weight of 342.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide is sourced from PubChem (CID 124578647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).