N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide

C18H21N3O — CID 74246639

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide
SMILESCCCN(C(=O)c1cncnc1C)C1Cc2ccccc2C1
InChIInChI=1S/C18H21N3O/c1-3-8-21(18(22)17-11-19-12-20-13(17)2)16-9-14-6-4-5-7-15(14)10-16/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyPKYCZSDESDLOJK-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.80
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide (PubChem CID 74246639) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide
PubChem CID74246639
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide
SMILESCCCN(C(=O)c1cncnc1C)C1Cc2ccccc2C1
InChIInChI=1S/C18H21N3O/c1-3-8-21(18(22)17-11-19-12-20-13(17)2)16-9-14-6-4-5-7-15(14)10-16/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyPKYCZSDESDLOJK-UHFFFAOYSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-4-methyl-N-propyl-1,3-oxazole-5-carboxamide
CID 77094661
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 19710204
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
N-cyclopropyl-3-(methylamino)-N-propylpyridine-4-carboxamide
CID 105068558
6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 94648066
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
N-cyclopropyl-4-hydrazinyl-6-methyl-N-propylpyridine-3-carboxamide
CID 81255684
4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
CID 119303185
N-butyl-N-cyclopropyl-4-(ethylamino)pyridine-3-carboxamide
CID 81242322
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide (CID 74246639) is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide is CCCN(C(=O)c1cncnc1C)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide?
The InChIKey is PKYCZSDESDLOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-8-21(18(22)17-11-19-12-20-13(17)2)16-9-14-6-4-5-7-15(14)10-16/h4-7,11-12,16H,3,8-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 74246639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).