N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide

C23H27BrN4O3 — CID 167958879

IUPACN-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide
SMILESCN(CC1CCCN1C(=O)c1cc(N)ncc1Br)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C23H27BrN4O3/c1-27(22(29)16-6-8-18(9-7-16)31-14-15-4-5-15)13-17-3-2-10-28(17)23(30)19-11-21(25)26-12-20(19)24/h6-9,11-12,15,17H,2-5,10,13-14H2,1H3,(H2,25,26)
InChIKeyHFHZVKGCWSTNHD-UHFFFAOYSA-N
MW487.40 g/mol
LogP3.59
Rot. Bonds7

About N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide

N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide (PubChem CID 167958879) has the molecular formula C23H27BrN4O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide
PubChem CID167958879
Molecular FormulaC23H27BrN4O3
Molecular Weight487.40 g/mol
Exact Mass486.13
IUPAC NameN-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide
SMILESCN(CC1CCCN1C(=O)c1cc(N)ncc1Br)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C23H27BrN4O3/c1-27(22(29)16-6-8-18(9-7-16)31-14-15-4-5-15)13-17-3-2-10-28(17)23(30)19-11-21(25)26-12-20(19)24/h6-9,11-12,15,17H,2-5,10,13-14H2,1H3,(H2,25,26)
InChIKeyHFHZVKGCWSTNHD-UHFFFAOYSA-N
XLogP3.59
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056
(2-amino-4-methoxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 115413192
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 55127274
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide?
The IUPAC name of N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide (CID 167958879) is N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide.
What is the SMILES notation for N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide?
The canonical SMILES for N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide is CN(CC1CCCN1C(=O)c1cc(N)ncc1Br)C(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide?
The InChIKey is HFHZVKGCWSTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O3/c1-27(22(29)16-6-8-18(9-7-16)31-14-15-4-5-15)13-17-3-2-10-28(17)23(30)19-11-21(25)26-12-20(19)24/h6-9,11-12,15,17H,2-5,10,13-14H2,1H3,(H2,25,26).
What are the key properties of N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide?
N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide has a molecular weight of 487.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide is sourced from PubChem (CID 167958879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).