4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C19H22N6O — CID 167808661

IUPAC4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCc4ncnc(N)c4C3)c12
InChIInChI=1S/C19H22N6O/c1-12-3-2-4-16-17(12)13(9-22-16)5-7-21-19(26)25-8-6-15-14(10-25)18(20)24-11-23-15/h2-4,9,11,22H,5-8,10H2,1H3,(H,21,26)(H2,20,23,24)
InChIKeyGIJOLZYXVHKUHJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.16
Rot. Bonds3

About 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 167808661) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID167808661
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCc4ncnc(N)c4C3)c12
InChIInChI=1S/C19H22N6O/c1-12-3-2-4-16-17(12)13(9-22-16)5-7-21-19(26)25-8-6-15-14(10-25)18(20)24-11-23-15/h2-4,9,11,22H,5-8,10H2,1H3,(H,21,26)(H2,20,23,24)
InChIKeyGIJOLZYXVHKUHJ-UHFFFAOYSA-N
XLogP2.16
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167831605
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 167756273
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 120610465
3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774512

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 167808661) is 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cccc2[nH]cc(CCNC(=O)N3CCc4ncnc(N)c4C3)c12.
What is the InChIKey of 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is GIJOLZYXVHKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-3-2-4-16-17(12)13(9-22-16)5-7-21-19(26)25-8-6-15-14(10-25)18(20)24-11-23-15/h2-4,9,11,22H,5-8,10H2,1H3,(H,21,26)(H2,20,23,24).
What are the key properties of 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 167808661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).